VIPADENANT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: LDR3USH1NJ

Structure
InChI Key HQSBCDPYXDGTCL-UHFFFAOYSA-N
Smile Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N
InChI
InChI=1S/C16H15N7O/c1-9-7-10(4-5-11(9)17)8-23-15-14(21-22-23)13(19-16(18)20-15)12-3-2-6-24-12/h2-7H,8,17H2,1H3,(H2,18,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H15N7O
Molecular Weight 321.34
AlogP 2.0
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 121.67
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Adenosine A2a receptor antagonist PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- - 100 1005-1005 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 2 D010300 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL447664
DrugBank DB06625
EPA CompTox DTXSID90196103
FDA SRS LDR3USH1NJ
Guide to Pharmacology 5612
PDB 9XT
PubChem 21874557
SureChEMBL SCHEMBL2849027
ZINC ZINC000040863182
CONTENTS